(2-ethanoyl-4-methyl-phenyl) 4-cyanobenzoate

Systemtic Name: (2-ethanoyl-4-methyl-phenyl) 4-cyanobenzoate Openeye Name: (2-acetyl-4-methyl-phenyl) 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid (2-acetyl-4-methylphenyl) ester IUPAC Name: (2-acetyl-4-methylphenyl) 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid (2-acetyl-4-methyl-phenyl) ester Formula: C17H13NO3 MolecularWeight: 279.29002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C#N)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C#N)C(=O)C

InChI

InChI=1S/C17H13NO3/c1-11-3-8-16(15(9-11)12(2)19)21-17(20)14-6-4-13(10-18)5-7-14/h3-9H,1-2H3